My PhD thesis - Condensed Matter Theory - Imperial College London

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BIBLIOGRAPHY [28] R. Gaudoin, M. Nekovee, W. M. C. Foulkes, R. J. Needs, and G. Rajagopal. Inhomogeneous random-phase approximation and many-electron trial wave functions. Physical Review B, 63:115115–115130, 2001. [29] O. Gunnarsson and B. I. Lundqvist. Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism. Physical Review B, 13(10):4274–4298, 1976. [30] B. L. Hammond, W. A. Lester, Jr., and P. J. Reynolds. Monte Carlo Methods in Ab Initio Quantum Chemistry. World Scientific, Singapore, 1994. [31] A. Harju, B. Barbiellini, S. Siljamäki, R. M. Nieminen, and G. Ortiz. Stochastic gradient approximation: An efficient method to optimize many-body wave functions. Physical Review Letters, 79(7):1173, 1997. [32] J. E. Harriman. Orthonormal orbitals for the representation of an arbitrary density. Physical Review A, 24(2):680, 1981. [33] D. R. Hartree. Proceedings of the Cambridge Philosophical Society, 24:89, 1927. [34] D. R. Hartree. Approximate wave functions and atomic field for mercury. Physical Review, 46:738–743, 1934. [35] P. Hohenberg and W. Kohn. Inhomogeneous electron gas. Physical Review, 136:B864, 1964. [36] C.-J. Huang, C. J. Umrigar, and M. P. Nightingale. Accuracy of electronic wave functions in quantum Monte Carlo: The effect of high-order correlations. Journal of Chemical Physics, 107(8):3007, 1997. [37] T. Kato. Communications on Pure and Applied Mathematics, 10:151, 1957. [38] S. D. Kenny, G. Rajagopal, R. J. Needs, W.-K. Leung, M. J. Godfrey, A. J. Williamson, and W. M. C. Foulkes. Quantum Monte Carlo calculations of the energy of the relativistic homogeneous electron gas. Physical Review Letters, 77(6):1099, 1996. 210
BIBLIOGRAPHY [39] P. R. C. Kent, R. Q. Hood, A. Williamson, R. J. Needs, W. M. C. Foulkes, and G. Rajagopal. Finite-size errors in quantum many-body simulations of extended systems. Physical Review B, 59(3):1917, 1999. [40] P. R. C. Kent, R. J. Needs, and G. Rajagopal. Monte Carlo energy and varianceminimization techniques for optimizing many-body functions. Physical Review B, 59(19):12344, 1999. [41] W. Kohn and L. Sham. Self-consistent equations including exchange and correlation effects. Physical Review, 140:A1133, 1965. [42] E. Krotscheck. Theory of inhomogeneous quantum systems. III. Variational wave functions for fermi fluids. Physical Review B, 31(7):4267, 1985. [43] E. Krotscheck, W. Kohn, and G.-X. Qian. Theory of inhomogeneous quantum systems. IV. Variational calculations of metal surfaces. Physical Review B, 32(9):5693, 1985. [44] S. Kurth and J. P. Perdew. Density-functional correction of random-phaseapproximation correlation with results for jellium surface energies. Physical Review B, 59:10461, 1999. [45] Y. Kwon, D. M. Ceperley, and R. M. Martin. Effects of three-body and backflow correlations in the two-dimensional electron gas. Physical Review B, 48(16):12037, 1993. [46] Y. Kwon, D. M. Ceperley, and R. M. Martin. Effects of backflow correlation in the three-dimensional electron gas: Quantum Monte Carlo study. Physical Review B, 58(11):6800, 1998. [47] N. D. Lang and W. Kohn. Theory of metal surfaces: Charge density and surface energy. Physical Review B, 1(12):4555, 1970. [48] N. D. Lang and W. Kohn. Theory of metal surfaces: Induced surface charge and image potential. Physical Review B, 7(8):3541, 1973. 211
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Improving the accuracy of surface s
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Acknowledgements I am greatly indeb
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CONTENTS 3.3.4 Importance-sampled d
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CONTENTS 10 Conclusions 181 A The q
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LIST OF FIGURES 5.3 The LDA energy
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LIST OF FIGURES 8.4 The x- and z-co
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LIST OF FIGURES 8.20 Electron densi
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List of Tables 8.1 The function F k
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Chapter 1 Introduction In recent de
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CHAPTER 1. INTRODUCTION A successfu
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CHAPTER 2. MECHANICS THE SIMPLIFICA
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CHAPTER 3. QUANTUM MONTE CARLO METH
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Chapter 4 Errors in QMC simulations
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CHAPTER 4. ERRORS IN QMC SIMULATION
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CHAPTER 5. THE JELLIUM SLAB The jel
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CHAPTER 5. THE JELLIUM SLAB 0.08 0.
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CHAPTER 5. THE JELLIUM SLAB The DMC
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CHAPTER 5. THE JELLIUM SLAB -9.125
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CHAPTER 5. THE JELLIUM SLAB -0.3 Su
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CHAPTER 5. THE JELLIUM SLAB 0.14 be
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CHAPTER 5. THE JELLIUM SLAB At the
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CHAPTER 6. THE MODIFIED PERIODIC CO
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CHAPTER 7. THE ELECTRONIC GROUND-ST
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CHAPTER 8. APPLYING THE PLASMON NOR
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Page 215: BIBLIOGRAPHY [80] C. J. Umrigar, K.
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My PhD thesis - Condensed Matter Theory - Imperial College London

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